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122142-77-2

122142-77-2 | Phenazinium, 3,7-bis(ethylamino)-2,8-dimethyl-5-phenyl-, chloride (1:1)

CAS No: 122142-77-2 Catalog No: AG0016TZ MDL No:

Product Description

Catalog Number:
AG0016TZ
Chemical Name:
Phenazinium, 3,7-bis(ethylamino)-2,8-dimethyl-5-phenyl-, chloride (1:1)
CAS Number:
122142-77-2
Molecular Formula:
C24H27ClN4
Molecular Weight:
406.9510
IUPAC Name:
2-N,8-N-diethyl-3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine;chloride
InChI:
InChI=1S/C24H26N4.ClH/c1-5-25-19-14-23-21(12-16(19)3)27-22-13-17(4)20(26-6-2)15-24(22)28(23)18-10-8-7-9-11-18;/h7-15H,5-6H2,1-4H3,(H,25,26);1H
InChI Key:
HFESYLZJRRABLQ-UHFFFAOYSA-N
SMILES:
CCNc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)NCC.[Cl-]

Properties

Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.192g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
406.958g/mol
Monoisotopic Mass:
406.192g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
40.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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